Synthesis, crystal structure and spectroscopic studies of copper(II) complex of C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane

Copper(II) complex coordinated with cyclam-type macrocyclic tetramine, C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane (2Cdmc) has been synthesized and characterized by single crystal X-ray crystallographic analysis and UV-Vis absorption spectra. Solved molecular structure of [Cu(2Cdmc)(H2O)]Cl-2 center dot 2H(2)O (1) revealed that macrocyclic ligand 2Cdmc was in the most stable trans-III structure, but the C-methyl groups of 2Cdmc adopted energetically unfavorable axial configuration (C-axial). This complex 1 is the second example of complex of cyclam-type tetramine with only axially oriented C-methyl groups. This complex adopted five-coordinated square-pyramidal geometry with one water molecule occupying one of the two apical sites. Network of hydrogen bonds involving counter anions (Cl-), coordinating and non-coordinating water molecules, and N-H of 2Cdmc was present. UV-Vis spectra in various solutions also indicated the formation of five-, or six-coordinated complex in methanol and DMSO, but four-coordinated complex in water.